Q16

6-((((3S, 5R)-5-(((6-amino-4-methylpyridin-2-yl)methoxy)methyl)pyrrolidin-3-yl)oxy)methyl)-4-methylpyridin-2-amine

Created:	2013-08-22
Last modified:	2014-09-05

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6 entries where Q16 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	53
Chiral Atom Count	2
Bond Count	55
Aromatic Bond Count	12

2D diagram of Q16

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Chemical Component Summary
Name	6-((((3S, 5R)-5-(((6-amino-4-methylpyridin-2-yl)methoxy)methyl)pyrrolidin-3-yl)oxy)methyl)-4-methylpyridin-2-amine
Systematic Name (OpenEye OEToolkits)	6-[[(2R,4S)-4-[(6-azanyl-4-methyl-pyridin-2-yl)methoxy]pyrrolidin-2-yl]methoxymethyl]-4-methyl-pyridin-2-amine
Formula	C₁₉ H₂₇ N₅ O₂
Molecular Weight	357.45
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n1c(cc(cc1N)C)COC2CC(NC2)COCc3nc(N)cc(c3)C
SMILES	CACTVS	3.385	Cc1cc(N)nc(COC[CH]2C[CH](CN2)OCc3cc(C)cc(N)n3)c1
SMILES	OpenEye OEToolkits	1.9.2	Cc1cc(nc(c1)N)COCC2CC(CN2)OCc3cc(cc(n3)N)C
Canonical SMILES	CACTVS	3.385	Cc1cc(N)nc(COC[C@H]2C[C@@H](CN2)OCc3cc(C)cc(N)n3)c1
Canonical SMILES	OpenEye OEToolkits	1.9.2	Cc1cc(nc(c1)N)COC[C@H]2C[C@@H](CN2)OCc3cc(cc(n3)N)C
InChI	InChI	1.03	InChI=1S/C19H27N5O2/c1-12-3-15(23-18(20)5-12)10-25-9-14-7-17(8-22-14)26-11-16-4-13(2)6-19(21)24-16/h3-6,14,17,22H,7-11H2,1-2H3,(H2,20,23)(H2,21,24)/t14-,17+/m1/s1
InChIKey	InChI	1.03	NUKSCYDKRQJOFO-PBHICJAKSA-N

Related Resource References

Resource Name	Reference
PubChem	73386633
ChEMBL	CHEMBL3109188

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